3-[[2-(2-chlorophenyl)acetyl]amino]-N,4-dimethylbenzamide

C17H17ClN2O2 — CID 39132668

IUPAC3-[[2-(2-chlorophenyl)acetyl]amino]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)Cc2ccccc2Cl)c1
InChIInChI=1S/C17H17ClN2O2/c1-11-7-8-13(17(22)19-2)9-15(11)20-16(21)10-12-5-3-4-6-14(12)18/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyRVWQHIASQSPKHP-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.19
Rot. Bonds4

About 3-[[2-(2-chlorophenyl)acetyl]amino]-N,4-dimethylbenzamide

3-[[2-(2-chlorophenyl)acetyl]amino]-N,4-dimethylbenzamide (PubChem CID 39132668) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 3-[[2-(2-chlorophenyl)acetyl]amino]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-(2-chlorophenyl)acetyl]amino]-N,4-dimethylbenzamide
PubChem CID39132668
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name3-[[2-(2-chlorophenyl)acetyl]amino]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)Cc2ccccc2Cl)c1
InChIInChI=1S/C17H17ClN2O2/c1-11-7-8-13(17(22)19-2)9-15(11)20-16(21)10-12-5-3-4-6-14(12)18/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyRVWQHIASQSPKHP-UHFFFAOYSA-N
XLogP3.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-carbamothioyl-2-methylphenyl)-2-(2-chlorophenyl)acetamide
CID 62103714
N,4-dimethyl-3-[[2-[(2-phenylacetyl)amino]acetyl]amino]benzamide
CID 43073786
3-[(2-aminoacetyl)amino]-N,4-dimethylbenzamide
CID 43711940
3-benzamido-N,4-dimethylbenzamide
CID 17226324
3-[(2-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 43432295
4-chloro-3-[[2-(2-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 38957066
N-(5-chloro-2-methylphenyl)-2-(2-methylphenyl)acetamide
CID 8624306
5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid
CID 60941385
3-(5-hydroxypentanoylamino)-N,4-dimethylbenzamide
CID 79199583
3-(3-aminobutanoylamino)-N,4-dimethylbenzamide
CID 60843540
3-[(2-chloro-6-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 43432293
3-[(2-cyanophenyl)methylamino]-N,4-dimethylbenzamide
CID 33008844

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-chlorophenyl)acetyl]amino]-N,4-dimethylbenzamide?
The IUPAC name of 3-[[2-(2-chlorophenyl)acetyl]amino]-N,4-dimethylbenzamide (CID 39132668) is 3-[[2-(2-chlorophenyl)acetyl]amino]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-[[2-(2-chlorophenyl)acetyl]amino]-N,4-dimethylbenzamide?
The canonical SMILES for 3-[[2-(2-chlorophenyl)acetyl]amino]-N,4-dimethylbenzamide is CNC(=O)c1ccc(C)c(NC(=O)Cc2ccccc2Cl)c1.
What is the InChIKey of 3-[[2-(2-chlorophenyl)acetyl]amino]-N,4-dimethylbenzamide?
The InChIKey is RVWQHIASQSPKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-11-7-8-13(17(22)19-2)9-15(11)20-16(21)10-12-5-3-4-6-14(12)18/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 3-[[2-(2-chlorophenyl)acetyl]amino]-N,4-dimethylbenzamide?
3-[[2-(2-chlorophenyl)acetyl]amino]-N,4-dimethylbenzamide has a molecular weight of 316.79 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-chlorophenyl)acetyl]amino]-N,4-dimethylbenzamide is sourced from PubChem (CID 39132668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).